ACCESSION: MSBNK-Keio_Univ-KO004017
RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S041

CH$NAME: Serotonin
CH$NAME: 3-(2-Aminoethyl)-1H-indol-5-ol
CH$NAME: 5-Hydroxytryptamine
CH$NAME: Enteramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O
CH$EXACT_MASS: 176.09496
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
CH$LINK: CAS 50-67-9
CH$LINK: CHEBI 28790
CH$LINK: KEGG C00780
CH$LINK: NIKKAJI J4.107F
CH$LINK: PUBCHEM SID:4041
CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8075330

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 177
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-bf65d809200ea387ebf5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50.300 19802.0 1
  51.700 24752.5 1
  70.900 262376.5 3
  81.300 24752.5 1
  82.900 19802.0 1
  87.600 69307.0 1
  99.300 29703.0 1
  105.000 59406.0 1
  112.900 59406.0 1
  114.800 34653.5 1
  117.100 79208.0 1
  124.300 19802.0 1
  128.000 59406.0 1
  131.700 143564.5 2
  135.100 14851.5 1
  141.200 24752.5 1
  142.200 123762.5 1
  143.100 54455.5 1
  145.100 153465.5 2
  149.400 29703.0 1
  158.900 84158.5 1
  160.100 86490185.5 999
  168.900 128713.0 1
  177.300 37603998.0 434
  195.300 24752.5 1
//